MRP.py: A Parametrizer of Post-Translationally Modified Residues

Sahrmann, PG; Donnan, PH; Merz, KM; Mansoorabadi, SO; Goodwin, DC

Sahrmann, PG (corresponding author), Auburn Univ, Dept Chem & Biochem, Auburn, AL 36849 USA.

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020; 60 (10): 4424

Abstract

MRP.py is a Python-based parametrization program for covalently modified amino acid residues for molecular dynamics simulations. Charge derivation is ......

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